(2E)-4-[(3-Ethoxyphenyl)Amino]-4-Oxo-2-Butenoic Acid
[CAS# 36847-96-8]

Identification

• Name: (2E)-4-[(3-Ethoxyphenyl)Amino]-4-Oxo-2-Butenoic Acid
• Synonyms: 2-butenoic acid, 4-[(3-ethoxyphenyl)amino]-4-oxo-; 3-(3-Ethoxy-phenylcarbamoyl)-acrylic acid
• Molecular Formula: C₁₂H₁₃NO₄
• Molecular Weight: 235.24
• CAS Registry Number: 36847-96-8
• SMILES: CCOc1cccc(c1)NC(=O)/C=C/C(O)=O
• InChI: 1S/C12H13NO4/c1-2-17-10-5-3-4-9(8-10)13-11(14)6-7-12(15)16/h3-8H,2H2,1H3,(H,13,14)(H,15,16)/b7-6+
• InChIKey: YVGJSPGOWDHGIO-VOTSOKGWSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 471.824°C at 760 mmHg (Cal.)
• Flash point: 239.151°C (Cal.)